![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -15.4916971 | -15.9164936 | 0.4247964 | 0.0000000 | 15.9164936 | ||||||
cm-1 | 1665.6 | 2795.2 | -1129.6 | ||||||||
eV | -421.551 | 0.207 | -421.344 | -433.110 | 0.347 | -432.763 | 11.559 | -0.140 | 11.419 | 0.000 | 433.110 |